4-(cyclopropylmethylidene)-1,1-difluorocyclohexane

C10H14F2 — CID 165450649

IUPAC4-(cyclopropylmethylidene)-1,1-difluorocyclohexane
SMILESFC1(F)CCC(=CC2CC2)CC1
InChIInChI=1S/C10H14F2/c11-10(12)5-3-9(4-6-10)7-8-1-2-8/h7-8H,1-6H2
InChIKeyNNMRYFWFEYEPSK-UHFFFAOYSA-N
MW172.22 g/mol
LogP3.53
Rot. Bonds1

About 4-(cyclopropylmethylidene)-1,1-difluorocyclohexane

4-(cyclopropylmethylidene)-1,1-difluorocyclohexane (PubChem CID 165450649) has the molecular formula C10H14F2 and a molecular weight of 172.22 g/mol. Its IUPAC name is 4-(cyclopropylmethylidene)-1,1-difluorocyclohexane.

Molecular Properties

Compound Name4-(cyclopropylmethylidene)-1,1-difluorocyclohexane
PubChem CID165450649
Molecular FormulaC10H14F2
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name4-(cyclopropylmethylidene)-1,1-difluorocyclohexane
SMILESFC1(F)CCC(=CC2CC2)CC1
InChIInChI=1S/C10H14F2/c11-10(12)5-3-9(4-6-10)7-8-1-2-8/h7-8H,1-6H2
InChIKeyNNMRYFWFEYEPSK-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 53.53
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

4-(cyclopentylmethylidene)cyclohexan-1-amine;hydrochloride
CID 126845488
4-[(4,4-difluorocyclohexylidene)methyl]morpholine
CID 168976100
[1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine
CID 162570091
cobalt;1,1-difluorocyclopropane
CID 143921033
4-(cyclohexylidenemethyl)-1-methylpiperidine
CID 142178212
azane;1,1-difluoro-4-methylcyclohexane;hydrochloride
CID 126721446
1,1-difluoro-4-propa-1,2-dienylcyclohexane
CID 174809330
3-(cyclopentylmethylidene)cyclopentan-1-amine
CID 79880753
(9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene]
CID 163804615
1,1-difluoro-4-methylcyclohexane;methanamine
CID 144779644
5,5-difluorocyclooctan-1-one
CID 139801373
1,1-difluoro-3-methylidenecyclopentane;uranium
CID 142596182

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylidene)-1,1-difluorocyclohexane?
The IUPAC name of 4-(cyclopropylmethylidene)-1,1-difluorocyclohexane (CID 165450649) is 4-(cyclopropylmethylidene)-1,1-difluorocyclohexane.
What is the SMILES notation for 4-(cyclopropylmethylidene)-1,1-difluorocyclohexane?
The canonical SMILES for 4-(cyclopropylmethylidene)-1,1-difluorocyclohexane is FC1(F)CCC(=CC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylmethylidene)-1,1-difluorocyclohexane?
The InChIKey is NNMRYFWFEYEPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2/c11-10(12)5-3-9(4-6-10)7-8-1-2-8/h7-8H,1-6H2.
What are the key properties of 4-(cyclopropylmethylidene)-1,1-difluorocyclohexane?
4-(cyclopropylmethylidene)-1,1-difluorocyclohexane has a molecular weight of 172.22 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylidene)-1,1-difluorocyclohexane is sourced from PubChem (CID 165450649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).