1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene

C14H17F3 — CID 177015911

IUPAC1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene
SMILESCCCCc1ccc(C2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C14H17F3/c1-2-3-4-11-5-7-12(8-6-11)13(9-10-13)14(15,16)17/h5-8H,2-4,9-10H2,1H3
InChIKeyQLJOAEXQZSKZRR-UHFFFAOYSA-N
MW242.28 g/mol
LogP4.62
Rot. Bonds4

About 1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene

1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene (PubChem CID 177015911) has the molecular formula C14H17F3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene
PubChem CID177015911
Molecular FormulaC14H17F3
Molecular Weight242.28 g/mol
Exact Mass242.13
IUPAC Name1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene
SMILESCCCCc1ccc(C2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C14H17F3/c1-2-3-4-11-5-7-12(8-6-11)13(9-10-13)14(15,16)17/h5-8H,2-4,9-10H2,1H3
InChIKeyQLJOAEXQZSKZRR-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine
CID 112518490
1-[1-(4-butylphenyl)cyclopropyl]propan-1-one
CID 174432527
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
bis(4-butylphenyl)-chloro-methylsilane
CID 59164914
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
1-[2-(4-butylphenyl)ethyl]-4-methylbicyclo[2.2.2]octane
CID 59546145
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
acetonitrile;N-(2-phenylethyl)-N-propan-2-yl-1-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pentan-3-amine
CID 70242661
1-(4-butylphenyl)-4-[2-(4-butylphenyl)ethynyl]bicyclo[2.2.2]octane
CID 19985019
1-(4-butylphenyl)-4-hexylcyclohexane-1-carbonitrile
CID 18596921

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene?
The IUPAC name of 1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene (CID 177015911) is 1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene.
What is the SMILES notation for 1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene?
The canonical SMILES for 1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene is CCCCc1ccc(C2(C(F)(F)F)CC2)cc1.
What is the InChIKey of 1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene?
The InChIKey is QLJOAEXQZSKZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3/c1-2-3-4-11-5-7-12(8-6-11)13(9-10-13)14(15,16)17/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene?
1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene has a molecular weight of 242.28 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene is sourced from PubChem (CID 177015911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).