tert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid

C14H20FNO3 — CID 66671771

IUPACtert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(CCO)c1ccccc1F
InChIInChI=1S/C14H20FNO3/c1-14(2,3)16(13(18)19)12(8-9-17)10-6-4-5-7-11(10)15/h4-7,12,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyLRQXNPPWVWOEAS-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.03
Rot. Bonds4

About tert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid

tert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid (PubChem CID 66671771) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is tert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid
PubChem CID66671771
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Nametert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(CCO)c1ccccc1F
InChIInChI=1S/C14H20FNO3/c1-14(2,3)16(13(18)19)12(8-9-17)10-6-4-5-7-11(10)15/h4-7,12,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyLRQXNPPWVWOEAS-UHFFFAOYSA-N
XLogP3.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1-(4-fluorophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996040
3-[(1S)-1-(3,4-difluorophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996792
3-[(1S)-1-(2,4-difluorophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 68150313
3-(Dimethylamino)-3-phenylpropyl dimethylcarbamate
CID 44570103
1-Piperidinepropanol, gamma-phenyl-
CID 201866
(S)-[1-(3-fluoro-phenyl)-3-hydroxy-propyl]-carbamic acid tert-butyl ester
CID 27281789
[(2S,3S)-2-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
CID 69855301
methyl (2S,3S)-2-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 11310975
2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 164666231
(R)-N-Boc-3-amino-3-phenylpropan-1-ol
CID 7016521
(S)-Boc-3-Amino-3-phenylpropan-1-ol
CID 7172194
(r)-2-(N-boc-N-methylamino)-2-phenylethanol
CID 10911980

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid?
The IUPAC name of tert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid (CID 66671771) is tert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid is CC(C)(C)N(C(=O)O)C(CCO)c1ccccc1F.
What is the InChIKey of tert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid?
The InChIKey is LRQXNPPWVWOEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,3)16(13(18)19)12(8-9-17)10-6-4-5-7-11(10)15/h4-7,12,17H,8-9H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid?
tert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid has a molecular weight of 269.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(2-fluorophenyl)-3-hydroxypropyl]carbamic acid is sourced from PubChem (CID 66671771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).