2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine

C10H18FN — CID 139323749

IUPAC2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)C1C=C[C@@H](F)CC1
InChIInChI=1S/C10H18FN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3,5,8-9H,4,6-7,12H2,1-2H3/t8?,9-/m1/s1
InChIKeyUDEWCFCLJAIEGC-YGPZHTELSA-N
MW171.26 g/mol
LogP2.28
Rot. Bonds2

About 2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine

2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine (PubChem CID 139323749) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine
PubChem CID139323749
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)C1C=C[C@@H](F)CC1
InChIInChI=1S/C10H18FN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3,5,8-9H,4,6-7,12H2,1-2H3/t8?,9-/m1/s1
InChIKeyUDEWCFCLJAIEGC-YGPZHTELSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine (CID 139323749) is 2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine is CC(C)(CN)C1C=C[C@@H](F)CC1.
What is the InChIKey of 2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine?
The InChIKey is UDEWCFCLJAIEGC-YGPZHTELSA-N. The full InChI is InChI=1S/C10H18FN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3,5,8-9H,4,6-7,12H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of 2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine?
2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 139323749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).