(2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane

C8H12ClF3 — CID 161477693

IUPAC(2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane
SMILESCC(Cl)(C1CCCC1)C(F)(F)F
InChIInChI=1S/C8H12ClF3/c1-7(9,8(10,11)12)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyWDXXCNWNCABKMA-UHFFFAOYSA-N
MW200.63 g/mol
LogP3.74
Rot. Bonds1

About (2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane

(2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane (PubChem CID 161477693) has the molecular formula C8H12ClF3 and a molecular weight of 200.63 g/mol. Its IUPAC name is (2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane.

Molecular Properties

Compound Name(2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane
PubChem CID161477693
Molecular FormulaC8H12ClF3
Molecular Weight200.63 g/mol
Exact Mass200.06
IUPAC Name(2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane
SMILESCC(Cl)(C1CCCC1)C(F)(F)F
InChIInChI=1S/C8H12ClF3/c1-7(9,8(10,11)12)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyWDXXCNWNCABKMA-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane
CID 149058767
2-chloropropan-2-ylcyclopentane;silane
CID 174574242
(1,1,1-trifluoro-2-iodopropan-2-yl)cyclopentane
CID 67943908
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentane
CID 175402800
[(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane
CID 95049167
1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol
CID 90817555
2-cyclobutyl-1,1,1-trifluoropropan-2-ol
CID 130685158
(1,1-difluoro-2,2-dimethylpropyl)cyclobutane
CID 176747969
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
but-2-yne;1,1-difluoroethylcyclohexane
CID 169190593
tert-butylcyclopentadecane
CID 164774831
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane?
The IUPAC name of (2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane (CID 161477693) is (2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane.
What is the SMILES notation for (2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane?
The canonical SMILES for (2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane is CC(Cl)(C1CCCC1)C(F)(F)F.
What is the InChIKey of (2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane?
The InChIKey is WDXXCNWNCABKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF3/c1-7(9,8(10,11)12)6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of (2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane?
(2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane has a molecular weight of 200.63 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane is sourced from PubChem (CID 161477693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).