1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene

C15H21F — CID 135179101

IUPAC1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene
SMILESCC(C)C1CCCC(c2ccccc2F)C1
InChIInChI=1S/C15H21F/c1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15(14)16/h3-4,8-9,11-13H,5-7,10H2,1-2H3
InChIKeyKWERVCVEXNRNET-UHFFFAOYSA-N
MW220.33 g/mol
LogP4.76
Rot. Bonds2

About 1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene

1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene (PubChem CID 135179101) has the molecular formula C15H21F and a molecular weight of 220.33 g/mol. Its IUPAC name is 1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene
PubChem CID135179101
Molecular FormulaC15H21F
Molecular Weight220.33 g/mol
Exact Mass220.16
IUPAC Name1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene
SMILESCC(C)C1CCCC(c2ccccc2F)C1
InChIInChI=1S/C15H21F/c1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15(14)16/h3-4,8-9,11-13H,5-7,10H2,1-2H3
InChIKeyKWERVCVEXNRNET-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene?
The IUPAC name of 1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene (CID 135179101) is 1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene.
What is the SMILES notation for 1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene?
The canonical SMILES for 1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene is CC(C)C1CCCC(c2ccccc2F)C1.
What is the InChIKey of 1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene?
The InChIKey is KWERVCVEXNRNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F/c1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15(14)16/h3-4,8-9,11-13H,5-7,10H2,1-2H3.
What are the key properties of 1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene?
1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene has a molecular weight of 220.33 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene is sourced from PubChem (CID 135179101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).