1,1-difluoro-4-propa-1,2-dienylcyclohexane

C9H12F2 — CID 174809330

IUPAC1,1-difluoro-4-propa-1,2-dienylcyclohexane
SMILESC=C=CC1CCC(F)(F)CC1
InChIInChI=1S/C9H12F2/c1-2-3-8-4-6-9(10,11)7-5-8/h3,8H,1,4-7H2
InChIKeyNLBOQHJLSDURIT-UHFFFAOYSA-N
MW158.19 g/mol
LogP3.15
Rot. Bonds1

About 1,1-difluoro-4-propa-1,2-dienylcyclohexane

1,1-difluoro-4-propa-1,2-dienylcyclohexane (PubChem CID 174809330) has the molecular formula C9H12F2 and a molecular weight of 158.19 g/mol. Its IUPAC name is 1,1-difluoro-4-propa-1,2-dienylcyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-propa-1,2-dienylcyclohexane
PubChem CID174809330
Molecular FormulaC9H12F2
Molecular Weight158.19 g/mol
Exact Mass158.09
IUPAC Name1,1-difluoro-4-propa-1,2-dienylcyclohexane
SMILESC=C=CC1CCC(F)(F)CC1
InChIInChI=1S/C9H12F2/c1-2-3-8-4-6-9(10,11)7-5-8/h3,8H,1,4-7H2
InChIKeyNLBOQHJLSDURIT-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,1-difluoro-4-methylcyclohexane;methanamine
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(4,4-difluorocyclohexyl)azanium;methanethiol
CID 166078171
O-(4,4-difluorocyclohexyl)hydroxylamine
CID 149173251
4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane
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4,4-difluorocycloheptan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-propa-1,2-dienylcyclohexane?
The IUPAC name of 1,1-difluoro-4-propa-1,2-dienylcyclohexane (CID 174809330) is 1,1-difluoro-4-propa-1,2-dienylcyclohexane.
What is the SMILES notation for 1,1-difluoro-4-propa-1,2-dienylcyclohexane?
The canonical SMILES for 1,1-difluoro-4-propa-1,2-dienylcyclohexane is C=C=CC1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-propa-1,2-dienylcyclohexane?
The InChIKey is NLBOQHJLSDURIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2/c1-2-3-8-4-6-9(10,11)7-5-8/h3,8H,1,4-7H2.
What are the key properties of 1,1-difluoro-4-propa-1,2-dienylcyclohexane?
1,1-difluoro-4-propa-1,2-dienylcyclohexane has a molecular weight of 158.19 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-propa-1,2-dienylcyclohexane is sourced from PubChem (CID 174809330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).