carbamic acid;2,2-difluoro-3-methylbutane

C6H13F2NO2 — CID 161455862

IUPACcarbamic acid;2,2-difluoro-3-methylbutane
SMILESCC(C)C(C)(F)F.NC(=O)O
InChIInChI=1S/C5H10F2.CH3NO2/c1-4(2)5(3,6)7;2-1(3)4/h4H,1-3H3;2H2,(H,3,4)
InChIKeyWBDHFYIMJRICNQ-UHFFFAOYSA-N
MW169.17 g/mol
LogP1.92
Rot. Bonds1

About carbamic acid;2,2-difluoro-3-methylbutane

carbamic acid;2,2-difluoro-3-methylbutane (PubChem CID 161455862) has the molecular formula C6H13F2NO2 and a molecular weight of 169.17 g/mol. Its IUPAC name is carbamic acid;2,2-difluoro-3-methylbutane.

Molecular Properties

Compound Namecarbamic acid;2,2-difluoro-3-methylbutane
PubChem CID161455862
Molecular FormulaC6H13F2NO2
Molecular Weight169.17 g/mol
Exact Mass169.09
IUPAC Namecarbamic acid;2,2-difluoro-3-methylbutane
SMILESCC(C)C(C)(F)F.NC(=O)O
InChIInChI=1S/C5H10F2.CH3NO2/c1-4(2)5(3,6)7;2-1(3)4/h4H,1-3H3;2H2,(H,3,4)
InChIKeyWBDHFYIMJRICNQ-UHFFFAOYSA-N
XLogP1.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

carbamic acid;ethane-1,1-diol
CID 175516501
2-methyl-2-propan-2-ylpropanediamide
CID 45122126
2-fluoro-2-methoxy-3-methylbutanoic acid
CID 89358566
2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)
CID 171930864
2-(aminomethyl)-3,3-difluorobutanoic acid
CID 105429828
(2R)-2-(difluoromethyl)-2,3-dimethylbutanamide
CID 140943328
(2S)-2-amino-2,3-dimethylbutanamide
CID 10154071
methyl 2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 174483171
ethane;2-fluoro-2-methoxy-3-methylbutanoic acid
CID 143459080
tert-butyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate
CID 150203117
2,3,3-trifluoro-2-methylpropanamide
CID 139700951
3,3-difluoro-4-methyl-2-oxopentanoic acid
CID 10261433

Frequently Asked Questions

What is the IUPAC name of carbamic acid;2,2-difluoro-3-methylbutane?
The IUPAC name of carbamic acid;2,2-difluoro-3-methylbutane (CID 161455862) is carbamic acid;2,2-difluoro-3-methylbutane.
What is the SMILES notation for carbamic acid;2,2-difluoro-3-methylbutane?
The canonical SMILES for carbamic acid;2,2-difluoro-3-methylbutane is CC(C)C(C)(F)F.NC(=O)O.
What is the InChIKey of carbamic acid;2,2-difluoro-3-methylbutane?
The InChIKey is WBDHFYIMJRICNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2.CH3NO2/c1-4(2)5(3,6)7;2-1(3)4/h4H,1-3H3;2H2,(H,3,4).
What are the key properties of carbamic acid;2,2-difluoro-3-methylbutane?
carbamic acid;2,2-difluoro-3-methylbutane has a molecular weight of 169.17 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;2,2-difluoro-3-methylbutane is sourced from PubChem (CID 161455862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).