(4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate

C11H19F2NO3 — CID 177145512

IUPAC(4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate
SMILESC[C@@H](O)CCNC(=O)OC1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2NO3/c1-8(15)4-7-14-10(16)17-9-2-5-11(12,13)6-3-9/h8-9,15H,2-7H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyFOKFYBYSZYOFKW-MRVPVSSYSA-N
MW251.27 g/mol
LogP2.06
Rot. Bonds4

About (4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate

(4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate (PubChem CID 177145512) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate
PubChem CID177145512
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name(4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate
SMILESC[C@@H](O)CCNC(=O)OC1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2NO3/c1-8(15)4-7-14-10(16)17-9-2-5-11(12,13)6-3-9/h8-9,15H,2-7H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyFOKFYBYSZYOFKW-MRVPVSSYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate?
The IUPAC name of (4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate (CID 177145512) is (4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate.
What is the SMILES notation for (4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate?
The canonical SMILES for (4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate is C[C@@H](O)CCNC(=O)OC1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate?
The InChIKey is FOKFYBYSZYOFKW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-8(15)4-7-14-10(16)17-9-2-5-11(12,13)6-3-9/h8-9,15H,2-7H2,1H3,(H,14,16)/t8-/m1/s1.
What are the key properties of (4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate?
(4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate has a molecular weight of 251.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate is sourced from PubChem (CID 177145512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).