1-(4,4-difluorocyclohexyl)prop-1-en-1-amine

C9H15F2N — CID 143704764

IUPAC1-(4,4-difluorocyclohexyl)prop-1-en-1-amine
SMILESCC=C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2N/c1-2-8(12)7-3-5-9(10,11)6-4-7/h2,7H,3-6,12H2,1H3
InChIKeyQKLNHMCWBNIENZ-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.67
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine

1-(4,4-difluorocyclohexyl)prop-1-en-1-amine (PubChem CID 143704764) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)prop-1-en-1-amine
PubChem CID143704764
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1-(4,4-difluorocyclohexyl)prop-1-en-1-amine
SMILESCC=C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2N/c1-2-8(12)7-3-5-9(10,11)6-4-7/h2,7H,3-6,12H2,1H3
InChIKeyQKLNHMCWBNIENZ-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine (CID 143704764) is 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine is CC=C(N)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine?
The InChIKey is QKLNHMCWBNIENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-2-8(12)7-3-5-9(10,11)6-4-7/h2,7H,3-6,12H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine?
1-(4,4-difluorocyclohexyl)prop-1-en-1-amine has a molecular weight of 175.22 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine is sourced from PubChem (CID 143704764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).