3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine

C9H16FN — CID 178113934

IUPAC3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine
SMILESCC(C)C1CC=C(F)CC1N
InChIInChI=1S/C9H16FN/c1-6(2)8-4-3-7(10)5-9(8)11/h3,6,8-9H,4-5,11H2,1-2H3
InChIKeyRIVQIDZNCFZYEF-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.23
Rot. Bonds1

About 3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine

3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine (PubChem CID 178113934) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine
PubChem CID178113934
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine
SMILESCC(C)C1CC=C(F)CC1N
InChIInChI=1S/C9H16FN/c1-6(2)8-4-3-7(10)5-9(8)11/h3,6,8-9H,4-5,11H2,1-2H3
InChIKeyRIVQIDZNCFZYEF-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine?
The IUPAC name of 3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine (CID 178113934) is 3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine.
What is the SMILES notation for 3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine?
The canonical SMILES for 3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine is CC(C)C1CC=C(F)CC1N.
What is the InChIKey of 3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine?
The InChIKey is RIVQIDZNCFZYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-6(2)8-4-3-7(10)5-9(8)11/h3,6,8-9H,4-5,11H2,1-2H3.
What are the key properties of 3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine?
3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine has a molecular weight of 157.23 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-propan-2-ylcyclohex-3-en-1-amine is sourced from PubChem (CID 178113934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).