1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane

C16H31F — CID 170291148

IUPAC1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane
SMILESCCCCC1(CCC(C)C)CC(C)(F)CC1C
InChIInChI=1S/C16H31F/c1-6-7-9-16(10-8-13(2)3)12-15(5,17)11-14(16)4/h13-14H,6-12H2,1-5H3
InChIKeyAHRAVBKYSBEDQX-UHFFFAOYSA-N
MW242.42 g/mol
LogP5.76
Rot. Bonds6

About 1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane

1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane (PubChem CID 170291148) has the molecular formula C16H31F and a molecular weight of 242.42 g/mol. Its IUPAC name is 1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane.

Molecular Properties

Compound Name1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane
PubChem CID170291148
Molecular FormulaC16H31F
Molecular Weight242.42 g/mol
Exact Mass242.24
IUPAC Name1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane
SMILESCCCCC1(CCC(C)C)CC(C)(F)CC1C
InChIInChI=1S/C16H31F/c1-6-7-9-16(10-8-13(2)3)12-15(5,17)11-14(16)4/h13-14H,6-12H2,1-5H3
InChIKeyAHRAVBKYSBEDQX-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.42
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane?
The IUPAC name of 1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane (CID 170291148) is 1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane.
What is the SMILES notation for 1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane?
The canonical SMILES for 1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane is CCCCC1(CCC(C)C)CC(C)(F)CC1C.
What is the InChIKey of 1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane?
The InChIKey is AHRAVBKYSBEDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F/c1-6-7-9-16(10-8-13(2)3)12-15(5,17)11-14(16)4/h13-14H,6-12H2,1-5H3.
What are the key properties of 1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane?
1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane has a molecular weight of 242.42 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-fluoro-2,4-dimethyl-1-(3-methylbutyl)cyclopentane is sourced from PubChem (CID 170291148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).