1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene

C14H14ClF3 — CID 57065599

IUPAC1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)cc(C(C2CC2)C2CC2)c1
InChIInChI=1S/C14H14ClF3/c15-12-6-10(5-11(7-12)14(16,17)18)13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2
InChIKeyZORXQCFIVXUYBJ-UHFFFAOYSA-N
MW274.71 g/mol
LogP5.26
Rot. Bonds3

About 1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene

1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene (PubChem CID 57065599) has the molecular formula C14H14ClF3 and a molecular weight of 274.71 g/mol. Its IUPAC name is 1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene
PubChem CID57065599
Molecular FormulaC14H14ClF3
Molecular Weight274.71 g/mol
Exact Mass274.07
IUPAC Name1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)cc(C(C2CC2)C2CC2)c1
InChIInChI=1S/C14H14ClF3/c15-12-6-10(5-11(7-12)14(16,17)18)13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2
InChIKeyZORXQCFIVXUYBJ-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.71
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[3-chloro-5-(trifluoromethyl)phenyl]-3-cyclopropylpropanoic acid
CID 117107864
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride
CID 171215301
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171244734
(3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171251476
1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene
CID 118120315
(2S)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514953
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954
1-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171283543
[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171922490

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene (CID 57065599) is 1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene is FC(F)(F)c1cc(Cl)cc(C(C2CC2)C2CC2)c1.
What is the InChIKey of 1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene?
The InChIKey is ZORXQCFIVXUYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3/c15-12-6-10(5-11(7-12)14(16,17)18)13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2.
What are the key properties of 1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene?
1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene has a molecular weight of 274.71 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene is sourced from PubChem (CID 57065599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).