10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine

C14H20F2N2 — CID 163435417

IUPAC10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine
SMILESCC=C1C=CC(C(F)F)=C2C(CC)CNCCN12
InChIInChI=1S/C14H20F2N2/c1-3-10-9-17-7-8-18-11(4-2)5-6-12(13(10)18)14(15)16/h4-6,10,14,17H,3,7-9H2,1-2H3
InChIKeyAUBBYISXZNZZQZ-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.91
Rot. Bonds2

About 10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine

10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine (PubChem CID 163435417) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine.

Molecular Properties

Compound Name10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine
PubChem CID163435417
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine
SMILESCC=C1C=CC(C(F)F)=C2C(CC)CNCCN12
InChIInChI=1S/C14H20F2N2/c1-3-10-9-17-7-8-18-11(4-2)5-6-12(13(10)18)14(15)16/h4-6,10,14,17H,3,7-9H2,1-2H3
InChIKeyAUBBYISXZNZZQZ-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine with MolForge

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Related Compounds

N-ethenyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 130182728
4-(2,2,2-Trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279491
(4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279501
4-(Fluoromethyl)-10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279505
(4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279507
10-Methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279513
(4S)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279521
4-(Trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279522
4-(Difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279524
(4S)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279531
4-(Difluoromethyl)-10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279538
(4S)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279543

Frequently Asked Questions

What is the IUPAC name of 10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine?
The IUPAC name of 10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine (CID 163435417) is 10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine.
What is the SMILES notation for 10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine?
The canonical SMILES for 10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine is CC=C1C=CC(C(F)F)=C2C(CC)CNCCN12.
What is the InChIKey of 10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine?
The InChIKey is AUBBYISXZNZZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-3-10-9-17-7-8-18-11(4-2)5-6-12(13(10)18)14(15)16/h4-6,10,14,17H,3,7-9H2,1-2H3.
What are the key properties of 10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine?
10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine has a molecular weight of 254.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(difluoromethyl)-1-ethyl-7-ethylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine is sourced from PubChem (CID 163435417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).