(3,3-difluoro-2-methylpropyl)carbamic acid

C5H9F2NO2 — CID 88688289

IUPAC(3,3-difluoro-2-methylpropyl)carbamic acid
SMILESCC(CNC(=O)O)C(F)F
InChIInChI=1S/C5H9F2NO2/c1-3(4(6)7)2-8-5(9)10/h3-4,8H,2H2,1H3,(H,9,10)
InChIKeyITNGEELASYQOMJ-UHFFFAOYSA-N
MW153.13 g/mol
LogP1.16
Rot. Bonds3

About (3,3-difluoro-2-methylpropyl)carbamic acid

(3,3-difluoro-2-methylpropyl)carbamic acid (PubChem CID 88688289) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is (3,3-difluoro-2-methylpropyl)carbamic acid.

Molecular Properties

Compound Name(3,3-difluoro-2-methylpropyl)carbamic acid
PubChem CID88688289
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name(3,3-difluoro-2-methylpropyl)carbamic acid
SMILESCC(CNC(=O)O)C(F)F
InChIInChI=1S/C5H9F2NO2/c1-3(4(6)7)2-8-5(9)10/h3-4,8H,2H2,1H3,(H,9,10)
InChIKeyITNGEELASYQOMJ-UHFFFAOYSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3-hydroxy-2-methylpentyl)carbamic acid
CID 166728849
[(2S)-2-fluoro-3-hydroxypropyl]carbamic acid
CID 87527949
[(2S)-2-methylbutyl]carbamic acid
CID 147069594
(2-hydroxy-3-methylbutyl)carbamic acid
CID 135330394
[(2S)-2-amino-4-methylpentyl]carbamic acid
CID 155804554
2,5,5-trifluoro-4-methylpentanoic acid
CID 140926725
[2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid
CID 90470587
2,2-dimethoxyethylcarbamic acid
CID 18938836
2,6,6-trifluoro-5-methylhexanoic acid
CID 142641839
2-(2-hydroxyethoxy)propylcarbamic acid
CID 87536383
[2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid
CID 167254522
2-(2-methylpropylamino)ethylcarbamic acid
CID 90802590

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-2-methylpropyl)carbamic acid?
The IUPAC name of (3,3-difluoro-2-methylpropyl)carbamic acid (CID 88688289) is (3,3-difluoro-2-methylpropyl)carbamic acid.
What is the SMILES notation for (3,3-difluoro-2-methylpropyl)carbamic acid?
The canonical SMILES for (3,3-difluoro-2-methylpropyl)carbamic acid is CC(CNC(=O)O)C(F)F.
What is the InChIKey of (3,3-difluoro-2-methylpropyl)carbamic acid?
The InChIKey is ITNGEELASYQOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-3(4(6)7)2-8-5(9)10/h3-4,8H,2H2,1H3,(H,9,10).
What are the key properties of (3,3-difluoro-2-methylpropyl)carbamic acid?
(3,3-difluoro-2-methylpropyl)carbamic acid has a molecular weight of 153.13 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-2-methylpropyl)carbamic acid is sourced from PubChem (CID 88688289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).