4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine

C12H16F2N2 — CID 66570375

IUPAC4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine
SMILESNC1(Cc2ccncc2)CCC(F)(F)CC1
InChIInChI=1S/C12H16F2N2/c13-12(14)5-3-11(15,4-6-12)9-10-1-7-16-8-2-10/h1-2,7-8H,3-6,9,15H2
InChIKeyZYXUEVUTZMAVLB-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.53
Rot. Bonds2

About 4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine

4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine (PubChem CID 66570375) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine
PubChem CID66570375
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine
SMILESNC1(Cc2ccncc2)CCC(F)(F)CC1
InChIInChI=1S/C12H16F2N2/c13-12(14)5-3-11(15,4-6-12)9-10-1-7-16-8-2-10/h1-2,7-8H,3-6,9,15H2
InChIKeyZYXUEVUTZMAVLB-UHFFFAOYSA-N
XLogP2.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine (CID 66570375) is 4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine is NC1(Cc2ccncc2)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is ZYXUEVUTZMAVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-12(14)5-3-11(15,4-6-12)9-10-1-7-16-8-2-10/h1-2,7-8H,3-6,9,15H2.
What are the key properties of 4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine?
4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 226.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 66570375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).