[(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine

C8H12F3N — CID 89073823

IUPAC[(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine
SMILESNC[C@H]1C=C[C@@H](C(F)(F)F)CC1
InChIInChI=1S/C8H12F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1,3,6-7H,2,4-5,12H2/t6-,7+/m0/s1
InChIKeySCSRZCYOAHQTNC-NKWVEPMBSA-N
MW179.19 g/mol
LogP2.09
Rot. Bonds1

About [(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine

[(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine (PubChem CID 89073823) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is [(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine.

Molecular Properties

Compound Name[(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine
PubChem CID89073823
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name[(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine
SMILESNC[C@H]1C=C[C@@H](C(F)(F)F)CC1
InChIInChI=1S/C8H12F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1,3,6-7H,2,4-5,12H2/t6-,7+/m0/s1
InChIKeySCSRZCYOAHQTNC-NKWVEPMBSA-N
XLogP2.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.09
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 [(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine?
The IUPAC name of [(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine (CID 89073823) is [(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine.
What is the SMILES notation for [(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine?
The canonical SMILES for [(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine is NC[C@H]1C=C[C@@H](C(F)(F)F)CC1.
What is the InChIKey of [(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine?
The InChIKey is SCSRZCYOAHQTNC-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1,3,6-7H,2,4-5,12H2/t6-,7+/m0/s1.
What are the key properties of [(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine?
[(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine has a molecular weight of 179.19 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine is sourced from PubChem (CID 89073823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).