1,3-difluoro-2-methylidenecyclohexane

C7H10F2 — CID 90807562

IUPAC1,3-difluoro-2-methylidenecyclohexane
SMILESC=C1C(F)CCCC1F
InChIInChI=1S/C7H10F2/c1-5-6(8)3-2-4-7(5)9/h6-7H,1-4H2
InChIKeyYKBZCQYXTRVHPB-UHFFFAOYSA-N
MW132.15 g/mol
LogP2.40
Rot. Bonds

About 1,3-difluoro-2-methylidenecyclohexane

1,3-difluoro-2-methylidenecyclohexane (PubChem CID 90807562) has the molecular formula C7H10F2 and a molecular weight of 132.15 g/mol. Its IUPAC name is 1,3-difluoro-2-methylidenecyclohexane.

Molecular Properties

Compound Name1,3-difluoro-2-methylidenecyclohexane
PubChem CID90807562
Molecular FormulaC7H10F2
Molecular Weight132.15 g/mol
Exact Mass132.08
IUPAC Name1,3-difluoro-2-methylidenecyclohexane
SMILESC=C1C(F)CCCC1F
InChIInChI=1S/C7H10F2/c1-5-6(8)3-2-4-7(5)9/h6-7H,1-4H2
InChIKeyYKBZCQYXTRVHPB-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.15
LogP ≤ 52.40
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

1,3,5-trifluoro-2-methylidenecyclohexane
CID 123193679
2-methylidenecyclohexane-1,3-diamine
CID 89104268
3,5-difluoro-4-methylidenecyclohexane-1-carbonitrile
CID 91265103
trans-(2S,6S)-2-bromo-6-fluorocyclohexan-1-one
CID 23235246
2-fluoro-6-methylcyclohexan-1-one
CID 130037542
1,3-difluoro-5-methoxy-2-methylidenecyclohexane
CID 91554036
(2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine
CID 154673409
[(2Z)-2-[(3S)-3-fluoro-2-methylidenecyclohexylidene]ethyl]phosphane
CID 143208881
1,3-diethyl-2-methylidenecyclohexane
CID 58088314
(3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene
CID 13462494
2-methylidenecyclooctane-1,3-diol
CID 130147976
carbonyl dichloride;fluorocyclobutane
CID 158358387

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methylidenecyclohexane?
The IUPAC name of 1,3-difluoro-2-methylidenecyclohexane (CID 90807562) is 1,3-difluoro-2-methylidenecyclohexane.
What is the SMILES notation for 1,3-difluoro-2-methylidenecyclohexane?
The canonical SMILES for 1,3-difluoro-2-methylidenecyclohexane is C=C1C(F)CCCC1F.
What is the InChIKey of 1,3-difluoro-2-methylidenecyclohexane?
The InChIKey is YKBZCQYXTRVHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2/c1-5-6(8)3-2-4-7(5)9/h6-7H,1-4H2.
What are the key properties of 1,3-difluoro-2-methylidenecyclohexane?
1,3-difluoro-2-methylidenecyclohexane has a molecular weight of 132.15 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methylidenecyclohexane is sourced from PubChem (CID 90807562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).