1-fluoro-1-(2-methylpropyl)cyclohexane

C10H19F — CID 22112134

IUPAC1-fluoro-1-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1(F)CCCCC1
InChIInChI=1S/C10H19F/c1-9(2)8-10(11)6-4-3-5-7-10/h9H,3-8H2,1-2H3
InChIKeyYIBQTLXCJAVAFC-UHFFFAOYSA-N
MW158.26 g/mol
LogP3.70
Rot. Bonds2

About 1-fluoro-1-(2-methylpropyl)cyclohexane

1-fluoro-1-(2-methylpropyl)cyclohexane (PubChem CID 22112134) has the molecular formula C10H19F and a molecular weight of 158.26 g/mol. Its IUPAC name is 1-fluoro-1-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name1-fluoro-1-(2-methylpropyl)cyclohexane
PubChem CID22112134
Molecular FormulaC10H19F
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name1-fluoro-1-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1(F)CCCCC1
InChIInChI=1S/C10H19F/c1-9(2)8-10(11)6-4-3-5-7-10/h9H,3-8H2,1-2H3
InChIKeyYIBQTLXCJAVAFC-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(2-methylpropyl)cyclohexane?
The IUPAC name of 1-fluoro-1-(2-methylpropyl)cyclohexane (CID 22112134) is 1-fluoro-1-(2-methylpropyl)cyclohexane.
What is the SMILES notation for 1-fluoro-1-(2-methylpropyl)cyclohexane?
The canonical SMILES for 1-fluoro-1-(2-methylpropyl)cyclohexane is CC(C)CC1(F)CCCCC1.
What is the InChIKey of 1-fluoro-1-(2-methylpropyl)cyclohexane?
The InChIKey is YIBQTLXCJAVAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F/c1-9(2)8-10(11)6-4-3-5-7-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-fluoro-1-(2-methylpropyl)cyclohexane?
1-fluoro-1-(2-methylpropyl)cyclohexane has a molecular weight of 158.26 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 22112134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).