(1R)-3,3-difluorocycloheptan-1-amine

C7H13F2N — CID 97055145

IUPAC(1R)-3,3-difluorocycloheptan-1-amine
SMILESN[C@@H]1CCCCC(F)(F)C1
InChIInChI=1S/C7H13F2N/c8-7(9)4-2-1-3-6(10)5-7/h6H,1-5,10H2/t6-/m1/s1
InChIKeyIGVISOHTYUJWKZ-ZCFIWIBFSA-N
MW149.18 g/mol
LogP1.91
Rot. Bonds

About (1R)-3,3-difluorocycloheptan-1-amine

(1R)-3,3-difluorocycloheptan-1-amine (PubChem CID 97055145) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is (1R)-3,3-difluorocycloheptan-1-amine.

Molecular Properties

Compound Name(1R)-3,3-difluorocycloheptan-1-amine
PubChem CID97055145
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name(1R)-3,3-difluorocycloheptan-1-amine
SMILESN[C@@H]1CCCCC(F)(F)C1
InChIInChI=1S/C7H13F2N/c8-7(9)4-2-1-3-6(10)5-7/h6H,1-5,10H2/t6-/m1/s1
InChIKeyIGVISOHTYUJWKZ-ZCFIWIBFSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluorocycloheptan-1-amine?
The IUPAC name of (1R)-3,3-difluorocycloheptan-1-amine (CID 97055145) is (1R)-3,3-difluorocycloheptan-1-amine.
What is the SMILES notation for (1R)-3,3-difluorocycloheptan-1-amine?
The canonical SMILES for (1R)-3,3-difluorocycloheptan-1-amine is N[C@@H]1CCCCC(F)(F)C1.
What is the InChIKey of (1R)-3,3-difluorocycloheptan-1-amine?
The InChIKey is IGVISOHTYUJWKZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13F2N/c8-7(9)4-2-1-3-6(10)5-7/h6H,1-5,10H2/t6-/m1/s1.
What are the key properties of (1R)-3,3-difluorocycloheptan-1-amine?
(1R)-3,3-difluorocycloheptan-1-amine has a molecular weight of 149.18 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-difluorocycloheptan-1-amine is sourced from PubChem (CID 97055145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).