tert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate

C15H22FNO3 — CID 59847638

IUPACtert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CCc1ccc(F)cc1
InChIInChI=1S/C15H22FNO3/c1-15(2,3)20-14(19)17-10-13(18)9-6-11-4-7-12(16)8-5-11/h4-5,7-8,13,18H,6,9-10H2,1-3H3,(H,17,19)
InChIKeyWWHZLHDTTQWDCP-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.64
Rot. Bonds5

About tert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate

tert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate (PubChem CID 59847638) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is tert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate
PubChem CID59847638
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Nametert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CCc1ccc(F)cc1
InChIInChI=1S/C15H22FNO3/c1-15(2,3)20-14(19)17-10-13(18)9-6-11-4-7-12(16)8-5-11/h4-5,7-8,13,18H,6,9-10H2,1-3H3,(H,17,19)
InChIKeyWWHZLHDTTQWDCP-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Di-Tert-Butyl {iminobis[(2s,3s)-3-Hydroxy-1-Phenylbutane-4,2-Diyl]}biscarbamate
CID 447617
propan-2-yl N-[(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-4-phenyl-3-{[(propan-2-yloxy)carbonyl]amino}butyl]amino}-1-phenylbutan-2-yl]carbamate
CID 455715
tert-butyl N-[(1S,2S,4S)-1-benzyl-4-(tert-butoxycarbonylamino)-2-hydroxy-5-phenyl-pentyl]carbamate
CID 454384
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 2733675
tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl](methyl)amino}-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 455720
Aminodiol deriv. 15a
CID 455712
4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate
CID 154666023
N-(tert-Butoxycarbonyl)-4-fluoro-L-phenylalanine
CID 7020910
tert-butyl N-(1-hydroxy-1-phenylpropan-2-yl)carbamate
CID 541439
Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
1,1-Dimethylethyl N-((1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl)carbamate
CID 7146645
Hexyl (2-hydroxy-2-phenylethyl)carbamate
CID 2840978

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate (CID 59847638) is tert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate is CC(C)(C)OC(=O)NCC(O)CCc1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate?
The InChIKey is WWHZLHDTTQWDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-15(2,3)20-14(19)17-10-13(18)9-6-11-4-7-12(16)8-5-11/h4-5,7-8,13,18H,6,9-10H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate?
tert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate has a molecular weight of 283.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-fluorophenyl)-2-hydroxybutyl]carbamate is sourced from PubChem (CID 59847638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).