1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine

C8H12F2N2 — CID 118338645

IUPAC1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)CC(F)F
InChIInChI=1S/C8H12F2N2/c9-7(10)5-8(12)4-2-1-3-6(8)11/h1-4,6-7H,5,11-12H2
InChIKeyKAFZBDSMPCWSLQ-UHFFFAOYSA-N
MW174.19 g/mol
LogP0.79
Rot. Bonds2

About 1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine

1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 118338645) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID118338645
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)CC(F)F
InChIInChI=1S/C8H12F2N2/c9-7(10)5-8(12)4-2-1-3-6(8)11/h1-4,6-7H,5,11-12H2
InChIKeyKAFZBDSMPCWSLQ-UHFFFAOYSA-N
XLogP0.79
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Diaminophenylethane
CID 67250873
1,2-Diamino-3,5-bis(trifluoromethyl)aniline
CID 19958632
(1R)-1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 68097553
2,3-Dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
CID 69318590
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 77408480
4-Fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine
CID 121493880
(3Z)-2-(1,1-difluoroethyl)hexa-3,5-diene-1,2-diamine
CID 124095360
1-Methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine
CID 134284100
1-[2-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 135190509
5-Fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine
CID 141742809
1-(2,2,2-Trifluoroethyl)cyclohexa-3,5-diene-1,2-diamine
CID 142795101
1-Ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine
CID 142797214

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine (CID 118338645) is 1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine is NC1C=CC=CC1(N)CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is KAFZBDSMPCWSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c9-7(10)5-8(12)4-2-1-3-6(8)11/h1-4,6-7H,5,11-12H2.
What are the key properties of 1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine?
1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 174.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 118338645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).