2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene

C9H13FS — CID 129270932

IUPAC2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene
SMILESCC1([C@@H]2C[C@]2(C)F)CC=CS1
InChIInChI=1S/C9H13FS/c1-8(10)6-7(8)9(2)4-3-5-11-9/h3,5,7H,4,6H2,1-2H3/t7-,8+,9?/m1/s1
InChIKeyKZRLXMHLYNUJQD-WGTSGOJVSA-N
MW172.27 g/mol
LogP3.14
Rot. Bonds1

About 2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene

2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene (PubChem CID 129270932) has the molecular formula C9H13FS and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene.

Molecular Properties

Compound Name2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene
PubChem CID129270932
Molecular FormulaC9H13FS
Molecular Weight172.27 g/mol
Exact Mass172.07
IUPAC Name2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene
SMILESCC1([C@@H]2C[C@]2(C)F)CC=CS1
InChIInChI=1S/C9H13FS/c1-8(10)6-7(8)9(2)4-3-5-11-9/h3,5,7H,4,6H2,1-2H3/t7-,8+,9?/m1/s1
InChIKeyKZRLXMHLYNUJQD-WGTSGOJVSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene 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 2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene?
The IUPAC name of 2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene (CID 129270932) is 2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene.
What is the SMILES notation for 2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene?
The canonical SMILES for 2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene is CC1([C@@H]2C[C@]2(C)F)CC=CS1.
What is the InChIKey of 2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene?
The InChIKey is KZRLXMHLYNUJQD-WGTSGOJVSA-N. The full InChI is InChI=1S/C9H13FS/c1-8(10)6-7(8)9(2)4-3-5-11-9/h3,5,7H,4,6H2,1-2H3/t7-,8+,9?/m1/s1.
What are the key properties of 2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene?
2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene has a molecular weight of 172.27 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene is sourced from PubChem (CID 129270932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).