(1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol

C14H27FO — CID 166883342

IUPAC(1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol
SMILESCCCC1(C)CCC(C)(CC(C)(C)F)[C@H]1O
InChIInChI=1S/C14H27FO/c1-6-7-13(4)8-9-14(5,11(13)16)10-12(2,3)15/h11,16H,6-10H2,1-5H3/t11-,13?,14?/m0/s1
InChIKeyOJWLQBKCOFLLIY-XGNXJENSSA-N
MW230.37 g/mol
LogP4.09
Rot. Bonds4

About (1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol

(1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol (PubChem CID 166883342) has the molecular formula C14H27FO and a molecular weight of 230.37 g/mol. Its IUPAC name is (1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol
PubChem CID166883342
Molecular FormulaC14H27FO
Molecular Weight230.37 g/mol
Exact Mass230.20
IUPAC Name(1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol
SMILESCCCC1(C)CCC(C)(CC(C)(C)F)[C@H]1O
InChIInChI=1S/C14H27FO/c1-6-7-13(4)8-9-14(5,11(13)16)10-12(2,3)15/h11,16H,6-10H2,1-5H3/t11-,13?,14?/m0/s1
InChIKeyOJWLQBKCOFLLIY-XGNXJENSSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol?
The IUPAC name of (1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol (CID 166883342) is (1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol.
What is the SMILES notation for (1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol?
The canonical SMILES for (1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol is CCCC1(C)CCC(C)(CC(C)(C)F)[C@H]1O.
What is the InChIKey of (1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol?
The InChIKey is OJWLQBKCOFLLIY-XGNXJENSSA-N. The full InChI is InChI=1S/C14H27FO/c1-6-7-13(4)8-9-14(5,11(13)16)10-12(2,3)15/h11,16H,6-10H2,1-5H3/t11-,13?,14?/m0/s1.
What are the key properties of (1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol?
(1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol has a molecular weight of 230.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(2-fluoro-2-methylpropyl)-2,5-dimethyl-5-propylcyclopentan-1-ol is sourced from PubChem (CID 166883342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).