N-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine

C15H23F2N — CID 167457008

IUPACN-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESCC(C)C1=CCCC=C1NC1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N/c1-11(2)13-5-3-4-6-14(13)18-12-7-9-15(16,17)10-8-12/h5-6,11-12,18H,3-4,7-10H2,1-2H3
InChIKeySZPFDLJNDZTSAQ-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.41
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine

N-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 167457008) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID167457008
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC NameN-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESCC(C)C1=CCCC=C1NC1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N/c1-11(2)13-5-3-4-6-14(13)18-12-7-9-15(16,17)10-8-12/h5-6,11-12,18H,3-4,7-10H2,1-2H3
InChIKeySZPFDLJNDZTSAQ-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline
CID 134963478
6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline
CID 54444424
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
4-[[1-[3,5-Bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethenylamino]methyl]cyclohexan-1-amine
CID 89119274
8-N-(3,3-difluorobutan-2-yl)-1,8a-dihydronaphthalene-1,8-diamine
CID 89637017
N-(2-ethylhexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 117695513
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
(Z)-2-N-[(1R)-4-ethylcyclohex-3-en-1-yl]-5,5,5-trifluoropent-2-ene-2,4-diamine
CID 118984030
N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine
CID 126728484
(Z)-1-(4-aminocyclohexa-2,4-dien-1-yl)-5,5-difluoro-2-N-methylhex-2-ene-2,4-diamine
CID 130179797
(3E,5R,6E)-2-(1,2,4a,5,6,7-hexahydroquinolin-3-yl)-8,8-difluoro-5,7-dimethylocta-1,3,6-trien-3-amine
CID 130242712
4-[[(4,4-difluorocyclohexyl)-prop-1-en-2-ylamino]methyl]-2-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]cyclohexa-1,3-dien-1-amine
CID 134174044

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine (CID 167457008) is N-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine is CC(C)C1=CCCC=C1NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is SZPFDLJNDZTSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-11(2)13-5-3-4-6-14(13)18-12-7-9-15(16,17)10-8-12/h5-6,11-12,18H,3-4,7-10H2,1-2H3.
What are the key properties of N-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine?
N-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 255.35 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 167457008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).