2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine

C11H15F2N3 — CID 140912981

IUPAC2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine
SMILESNc1ccnc(C2CCC(F)(F)CC2)c1N
InChIInChI=1S/C11H15F2N3/c12-11(13)4-1-7(2-5-11)10-9(15)8(14)3-6-16-10/h3,6-7H,1-2,4-5,15H2,(H2,14,16)
InChIKeySXLWTVODHAHTEL-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.54
Rot. Bonds1

About 2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine

2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine (PubChem CID 140912981) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine
PubChem CID140912981
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine
SMILESNc1ccnc(C2CCC(F)(F)CC2)c1N
InChIInChI=1S/C11H15F2N3/c12-11(13)4-1-7(2-5-11)10-9(15)8(14)3-6-16-10/h3,6-7H,1-2,4-5,15H2,(H2,14,16)
InChIKeySXLWTVODHAHTEL-UHFFFAOYSA-N
XLogP2.54
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-3-yl)pyridine-3,4-diamine
CID 129239595
2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine
CID 162444423
3-(4,4-difluorocyclohexyl)aniline
CID 115027304
2-(4,4-difluorocyclohexyl)-4-(1H-pyrazol-5-yl)pyridine
CID 175903700
2-chloro-5-(4,4-difluorocyclohexyl)pyridine
CID 174780883
4-(4,4-difluorocyclohexyl)-3-fluoroaniline
CID 162444535
5-(4,4-difluorocyclohexyl)pyridin-3-amine
CID 156574483
3-cyclopropylpyrazin-2-amine
CID 55285123
2-cyclopentyl-4-(3-fluorophenyl)pyridin-3-amine
CID 132590584
[1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine
CID 172515085
N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114226135
4-(2,5-difluorophenyl)-2-[(1R,2R)-4,4-difluoro-2-(trideuteriomethyl)cyclohexyl]pyridin-3-amine
CID 168743277

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine?
The IUPAC name of 2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine (CID 140912981) is 2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine is Nc1ccnc(C2CCC(F)(F)CC2)c1N.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine?
The InChIKey is SXLWTVODHAHTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c12-11(13)4-1-7(2-5-11)10-9(15)8(14)3-6-16-10/h3,6-7H,1-2,4-5,15H2,(H2,14,16).
What are the key properties of 2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine?
2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine has a molecular weight of 227.26 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)pyridine-3,4-diamine is sourced from PubChem (CID 140912981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).