N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine

C10H17F2N — CID 127008715

IUPACN-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine
SMILESFC1(F)CCC(NCC2CC2)CC1
InChIInChI=1S/C10H17F2N/c11-10(12)5-3-9(4-6-10)13-7-8-1-2-8/h8-9,13H,1-7H2
InChIKeyJCRRGCUAAVNQAV-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.56
Rot. Bonds3

About N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine

N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine (PubChem CID 127008715) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine
PubChem CID127008715
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC NameN-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine
SMILESFC1(F)CCC(NCC2CC2)CC1
InChIInChI=1S/C10H17F2N/c11-10(12)5-3-9(4-6-10)13-7-8-1-2-8/h8-9,13H,1-7H2
InChIKeyJCRRGCUAAVNQAV-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine (CID 127008715) is N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine is FC1(F)CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine?
The InChIKey is JCRRGCUAAVNQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c11-10(12)5-3-9(4-6-10)13-7-8-1-2-8/h8-9,13H,1-7H2.
What are the key properties of N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine?
N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine has a molecular weight of 189.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 127008715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).