1-nonan-4-yl-1-(trifluoromethyl)cyclopentane

C15H27F3 — CID 155467501

IUPAC1-nonan-4-yl-1-(trifluoromethyl)cyclopentane
SMILESCCCCCC(CCC)C1(C(F)(F)F)CCCC1
InChIInChI=1S/C15H27F3/c1-3-5-6-10-13(9-4-2)14(15(16,17)18)11-7-8-12-14/h13H,3-12H2,1-2H3
InChIKeyHXSQVBJYIFZWSF-UHFFFAOYSA-N
MW264.37 g/mol
LogP6.11
Rot. Bonds7

About 1-nonan-4-yl-1-(trifluoromethyl)cyclopentane

1-nonan-4-yl-1-(trifluoromethyl)cyclopentane (PubChem CID 155467501) has the molecular formula C15H27F3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-nonan-4-yl-1-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1-nonan-4-yl-1-(trifluoromethyl)cyclopentane
PubChem CID155467501
Molecular FormulaC15H27F3
Molecular Weight264.37 g/mol
Exact Mass264.21
IUPAC Name1-nonan-4-yl-1-(trifluoromethyl)cyclopentane
SMILESCCCCCC(CCC)C1(C(F)(F)F)CCCC1
InChIInChI=1S/C15H27F3/c1-3-5-6-10-13(9-4-2)14(15(16,17)18)11-7-8-12-14/h13H,3-12H2,1-2H3
InChIKeyHXSQVBJYIFZWSF-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-1-tridecan-7-ylcyclopropane
CID 166909340
1-propyl-1-undecan-4-ylcyclopropane
CID 123635961
1-[2-methyl-1,1-bis[[1-(trifluoromethyl)cyclohexyl]oxy]decoxy]-1-(trifluoromethyl)cyclohexane
CID 152633194
N-decyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210328
N-nonyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212400
2-octadecan-4-yloxetan-2-amine;hydrochloride
CID 173398380
1-(1-methoxycyclopentyl)nonan-1-ol
CID 113432696
1-(1-methylcyclopentyl)heptan-1-ol
CID 115783527
1-(1-methylcyclopentyl)nonan-1-ol
CID 115784043
1-methyl-1-[1,1,1-trifluoro-2-(1-methylcyclohexyl)oxy-3-(trifluoromethyl)undecan-2-yl]oxycyclohexane
CID 152563114
1,2-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 141199868
1-methyl-N-pentylcyclopentan-1-amine
CID 61365384

Frequently Asked Questions

What is the IUPAC name of 1-nonan-4-yl-1-(trifluoromethyl)cyclopentane?
The IUPAC name of 1-nonan-4-yl-1-(trifluoromethyl)cyclopentane (CID 155467501) is 1-nonan-4-yl-1-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1-nonan-4-yl-1-(trifluoromethyl)cyclopentane?
The canonical SMILES for 1-nonan-4-yl-1-(trifluoromethyl)cyclopentane is CCCCCC(CCC)C1(C(F)(F)F)CCCC1.
What is the InChIKey of 1-nonan-4-yl-1-(trifluoromethyl)cyclopentane?
The InChIKey is HXSQVBJYIFZWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3/c1-3-5-6-10-13(9-4-2)14(15(16,17)18)11-7-8-12-14/h13H,3-12H2,1-2H3.
What are the key properties of 1-nonan-4-yl-1-(trifluoromethyl)cyclopentane?
1-nonan-4-yl-1-(trifluoromethyl)cyclopentane has a molecular weight of 264.37 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonan-4-yl-1-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 155467501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).