(3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol

C16H23FO — CID 138375710

IUPAC(3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol
SMILESOCC[C@](F)(CC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H23FO/c17-16(11-12-18,15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h2,5-6,9-10,14,18H,1,3-4,7-8,11-13H2/t16-/m0/s1
InChIKeyWTNIIMMNPGYPOO-INIZCTEOSA-N
MW250.36 g/mol
LogP4.20
Rot. Bonds5

About (3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol

(3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol (PubChem CID 138375710) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is (3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol.

Molecular Properties

Compound Name(3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol
PubChem CID138375710
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name(3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol
SMILESOCC[C@](F)(CC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H23FO/c17-16(11-12-18,15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h2,5-6,9-10,14,18H,1,3-4,7-8,11-13H2/t16-/m0/s1
InChIKeyWTNIIMMNPGYPOO-INIZCTEOSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol?
The IUPAC name of (3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol (CID 138375710) is (3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol.
What is the SMILES notation for (3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol?
The canonical SMILES for (3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol is OCC[C@](F)(CC1CCCCC1)c1ccccc1.
What is the InChIKey of (3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol?
The InChIKey is WTNIIMMNPGYPOO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23FO/c17-16(11-12-18,15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h2,5-6,9-10,14,18H,1,3-4,7-8,11-13H2/t16-/m0/s1.
What are the key properties of (3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol?
(3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol has a molecular weight of 250.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol is sourced from PubChem (CID 138375710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).