1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine

C7H13F2N — CID 129498501

IUPAC1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine
SMILESCNC[C@H]1C(C)(C)C1(F)F
InChIInChI=1S/C7H13F2N/c1-6(2)5(4-10-3)7(6,8)9/h5,10H,4H2,1-3H3/t5-/m0/s1
InChIKeyFDCWTBRRAQLUKQ-YFKPBYRVSA-N
MW149.18 g/mol
LogP1.50
Rot. Bonds2

About 1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine

1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine (PubChem CID 129498501) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine
PubChem CID129498501
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine
SMILESCNC[C@H]1C(C)(C)C1(F)F
InChIInChI=1S/C7H13F2N/c1-6(2)5(4-10-3)7(6,8)9/h5,10H,4H2,1-3H3/t5-/m0/s1
InChIKeyFDCWTBRRAQLUKQ-YFKPBYRVSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(2,2,3-trimethylcyclopropyl)methanamine
CID 123448281
(2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride
CID 165452888
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-2-amine
CID 66475743
1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine
CID 121207584
1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine
CID 114229448
1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine
CID 123972141
2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride
CID 126845171
2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine
CID 126845185
1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine
CID 126845093
1-(2,2-difluorocyclohexyl)-N-methylmethanamine;hydrochloride
CID 163321422
N-methyl-1-(1-methylaziridin-2-yl)methanamine
CID 117010139
N-methyl-1-(1,6,6-trimethylpiperidin-3-yl)methanamine
CID 117021633

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine (CID 129498501) is 1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine is CNC[C@H]1C(C)(C)C1(F)F.
What is the InChIKey of 1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine?
The InChIKey is FDCWTBRRAQLUKQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13F2N/c1-6(2)5(4-10-3)7(6,8)9/h5,10H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of 1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine?
1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine has a molecular weight of 149.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 129498501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).