(1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol

C15H25FO2 — CID 154935540

IUPAC(1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
SMILESC=C1[C@@H](C2CCCCCC2)C[C@H](O)[C@]1(CO)CF
InChIInChI=1S/C15H25FO2/c1-11-13(12-6-4-2-3-5-7-12)8-14(18)15(11,9-16)10-17/h12-14,17-18H,1-10H2/t13-,14-,15-/m0/s1
InChIKeyCFJXZRCABRVJML-KKUMJFAQSA-N
MW256.36 g/mol
LogP2.84
Rot. Bonds3

About (1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol

(1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol (PubChem CID 154935540) has the molecular formula C15H25FO2 and a molecular weight of 256.36 g/mol. Its IUPAC name is (1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
PubChem CID154935540
Molecular FormulaC15H25FO2
Molecular Weight256.36 g/mol
Exact Mass256.18
IUPAC Name(1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
SMILESC=C1[C@@H](C2CCCCCC2)C[C@H](O)[C@]1(CO)CF
InChIInChI=1S/C15H25FO2/c1-11-13(12-6-4-2-3-5-7-12)8-14(18)15(11,9-16)10-17/h12-14,17-18H,1-10H2/t13-,14-,15-/m0/s1
InChIKeyCFJXZRCABRVJML-KKUMJFAQSA-N
XLogP2.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol (CID 154935540) is (1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol is C=C1[C@@H](C2CCCCCC2)C[C@H](O)[C@]1(CO)CF.
What is the InChIKey of (1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
The InChIKey is CFJXZRCABRVJML-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H25FO2/c1-11-13(12-6-4-2-3-5-7-12)8-14(18)15(11,9-16)10-17/h12-14,17-18H,1-10H2/t13-,14-,15-/m0/s1.
What are the key properties of (1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
(1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol has a molecular weight of 256.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-4-cycloheptyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol is sourced from PubChem (CID 154935540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).