(3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane

C9H13F5 — CID 134854847

IUPAC(3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane
SMILESCCCCCC1[C@@H](C(F)(F)F)C1(F)F
InChIInChI=1S/C9H13F5/c1-2-3-4-5-6-7(8(6,10)11)9(12,13)14/h6-7H,2-5H2,1H3/t6?,7-/m1/s1
InChIKeyJFEKQGCVMPDZJW-COBSHVIPSA-N
MW216.19 g/mol
LogP4.01
Rot. Bonds4

About (3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane

(3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane (PubChem CID 134854847) has the molecular formula C9H13F5 and a molecular weight of 216.19 g/mol. Its IUPAC name is (3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name(3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane
PubChem CID134854847
Molecular FormulaC9H13F5
Molecular Weight216.19 g/mol
Exact Mass216.09
IUPAC Name(3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane
SMILESCCCCCC1[C@@H](C(F)(F)F)C1(F)F
InChIInChI=1S/C9H13F5/c1-2-3-4-5-6-7(8(6,10)11)9(12,13)14/h6-7H,2-5H2,1H3/t6?,7-/m1/s1
InChIKeyJFEKQGCVMPDZJW-COBSHVIPSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane?
The IUPAC name of (3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane (CID 134854847) is (3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane.
What is the SMILES notation for (3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane?
The canonical SMILES for (3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane is CCCCCC1[C@@H](C(F)(F)F)C1(F)F.
What is the InChIKey of (3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane?
The InChIKey is JFEKQGCVMPDZJW-COBSHVIPSA-N. The full InChI is InChI=1S/C9H13F5/c1-2-3-4-5-6-7(8(6,10)11)9(12,13)14/h6-7H,2-5H2,1H3/t6?,7-/m1/s1.
What are the key properties of (3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane?
(3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane has a molecular weight of 216.19 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-difluoro-2-pentyl-3-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 134854847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).