4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine

C11H19F2N — CID 130677278

IUPAC4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine
SMILESCC1CCC1NC1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2N/c1-8-2-3-10(8)14-9-4-6-11(12,13)7-5-9/h8-10,14H,2-7H2,1H3
InChIKeyBMVJTLDFYRXHSW-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.95
Rot. Bonds2

About 4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine

4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine (PubChem CID 130677278) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine
PubChem CID130677278
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine
SMILESCC1CCC1NC1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2N/c1-8-2-3-10(8)14-9-4-6-11(12,13)7-5-9/h8-10,14H,2-7H2,1H3
InChIKeyBMVJTLDFYRXHSW-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine (CID 130677278) is 4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine is CC1CCC1NC1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine?
The InChIKey is BMVJTLDFYRXHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-8-2-3-10(8)14-9-4-6-11(12,13)7-5-9/h8-10,14H,2-7H2,1H3.
What are the key properties of 4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine?
4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine is sourced from PubChem (CID 130677278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).