1,3,5-trifluoro-2-methylidenecyclohexane

C7H9F3 — CID 123193679

IUPAC1,3,5-trifluoro-2-methylidenecyclohexane
SMILESC=C1C(F)CC(F)CC1F
InChIInChI=1S/C7H9F3/c1-4-6(9)2-5(8)3-7(4)10/h5-7H,1-3H2
InChIKeyNLWXJWYOALZCPT-UHFFFAOYSA-N
MW150.14 g/mol
LogP2.35
Rot. Bonds

About 1,3,5-trifluoro-2-methylidenecyclohexane

1,3,5-trifluoro-2-methylidenecyclohexane (PubChem CID 123193679) has the molecular formula C7H9F3 and a molecular weight of 150.14 g/mol. Its IUPAC name is 1,3,5-trifluoro-2-methylidenecyclohexane.

Molecular Properties

Compound Name1,3,5-trifluoro-2-methylidenecyclohexane
PubChem CID123193679
Molecular FormulaC7H9F3
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name1,3,5-trifluoro-2-methylidenecyclohexane
SMILESC=C1C(F)CC(F)CC1F
InChIInChI=1S/C7H9F3/c1-4-6(9)2-5(8)3-7(4)10/h5-7H,1-3H2
InChIKeyNLWXJWYOALZCPT-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-methylidenecyclohexane-1-carbonitrile
CID 91265103
1,3-difluoro-5-methoxy-2-methylidenecyclohexane
CID 91554036
1,3-difluoro-2-methylidenecyclohexane
CID 90807562
CID 175569832
CID 175569832
2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol
CID 91430722
2-chloro-4-fluorocyclopentan-1-ol
CID 174283039
N-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide
CID 171577055
2-(3-fluorocyclobutyl)phenol
CID 115013138
4-chloro-2-cyclopropyl-6-fluoro-7-methylidene-4,5,6,7a-tetrahydro-3aH-1,3-benzoxazole
CID 90701663
(3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol
CID 89090716
3-fluoro-N-methylcyclobutan-1-amine
CID 84715977
4-fluoro-1-methylidene-2-propan-2-ylcyclohexane
CID 123303828

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trifluoro-2-methylidenecyclohexane?
The IUPAC name of 1,3,5-trifluoro-2-methylidenecyclohexane (CID 123193679) is 1,3,5-trifluoro-2-methylidenecyclohexane.
What is the SMILES notation for 1,3,5-trifluoro-2-methylidenecyclohexane?
The canonical SMILES for 1,3,5-trifluoro-2-methylidenecyclohexane is C=C1C(F)CC(F)CC1F.
What is the InChIKey of 1,3,5-trifluoro-2-methylidenecyclohexane?
The InChIKey is NLWXJWYOALZCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3/c1-4-6(9)2-5(8)3-7(4)10/h5-7H,1-3H2.
What are the key properties of 1,3,5-trifluoro-2-methylidenecyclohexane?
1,3,5-trifluoro-2-methylidenecyclohexane has a molecular weight of 150.14 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trifluoro-2-methylidenecyclohexane is sourced from PubChem (CID 123193679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).