N-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine

C9H17F2N — CID 102870153

IUPACN-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine
SMILESCC1CCC(NC(C)C(F)F)C1
InChIInChI=1S/C9H17F2N/c1-6-3-4-8(5-6)12-7(2)9(10)11/h6-9,12H,3-5H2,1-2H3
InChIKeyDYGQQRDOTFHWQK-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.42
Rot. Bonds3

About N-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine

N-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine (PubChem CID 102870153) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine
PubChem CID102870153
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC NameN-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine
SMILESCC1CCC(NC(C)C(F)F)C1
InChIInChI=1S/C9H17F2N/c1-6-3-4-8(5-6)12-7(2)9(10)11/h6-9,12H,3-5H2,1-2H3
InChIKeyDYGQQRDOTFHWQK-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine (CID 102870153) is N-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine is CC1CCC(NC(C)C(F)F)C1.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine?
The InChIKey is DYGQQRDOTFHWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-6-3-4-8(5-6)12-7(2)9(10)11/h6-9,12H,3-5H2,1-2H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine?
N-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine has a molecular weight of 177.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 102870153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).