(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine

C5H11F2N — CID 176965974

IUPAC(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine
SMILESCNC[C@@H](C)C(F)F
InChIInChI=1S/C5H11F2N/c1-4(3-8-2)5(6)7/h4-5,8H,3H2,1-2H3/t4-/m1/s1
InChIKeyKEHSBCMXBWESQZ-SCSAIBSYSA-N
MW123.15 g/mol
LogP1.11
Rot. Bonds3

About (2R)-3,3-difluoro-N,2-dimethylpropan-1-amine

(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine (PubChem CID 176965974) has the molecular formula C5H11F2N and a molecular weight of 123.15 g/mol. Its IUPAC name is (2R)-3,3-difluoro-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine
PubChem CID176965974
Molecular FormulaC5H11F2N
Molecular Weight123.15 g/mol
Exact Mass123.09
IUPAC Name(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine
SMILESCNC[C@@H](C)C(F)F
InChIInChI=1S/C5H11F2N/c1-4(3-8-2)5(6)7/h4-5,8H,3H2,1-2H3/t4-/m1/s1
InChIKeyKEHSBCMXBWESQZ-SCSAIBSYSA-N
XLogP1.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-fluoro-N-methylpropan-1-amine
CID 144550973
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CID 123681641
4-ethyl-N,2,3-trimethylhexan-1-amine
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(2S)-2-fluoro-N,5-dimethylhexan-1-amine
CID 129462625
2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine
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CID 81015668
1-N,2-dimethyl-3-N,3-N-bis(2-methylpropyl)butane-1,3-diamine
CID 79409781
4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine
CID 134163261
(2R)-N-methyl-2-phosphanylpropan-1-amine
CID 171624131
N,2-dimethylpropan-1-amine;methanamine
CID 144585140
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CID 162040885

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-difluoro-N,2-dimethylpropan-1-amine?
The IUPAC name of (2R)-3,3-difluoro-N,2-dimethylpropan-1-amine (CID 176965974) is (2R)-3,3-difluoro-N,2-dimethylpropan-1-amine.
What is the SMILES notation for (2R)-3,3-difluoro-N,2-dimethylpropan-1-amine?
The canonical SMILES for (2R)-3,3-difluoro-N,2-dimethylpropan-1-amine is CNC[C@@H](C)C(F)F.
What is the InChIKey of (2R)-3,3-difluoro-N,2-dimethylpropan-1-amine?
The InChIKey is KEHSBCMXBWESQZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11F2N/c1-4(3-8-2)5(6)7/h4-5,8H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-3,3-difluoro-N,2-dimethylpropan-1-amine?
(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine has a molecular weight of 123.15 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-difluoro-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 176965974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).