trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine

C10H11F2N — CID 94419555

IUPACtrans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine
SMILESC[C@]1(c2c(F)cccc2F)C[C@H]1N
InChIInChI=1S/C10H11F2N/c1-10(5-8(10)13)9-6(11)3-2-4-7(9)12/h2-4,8H,5,13H2,1H3/t8-,10+/m1/s1
InChIKeyVZZPQSFMQREMFF-SCZZXKLOSA-N
MW183.20 g/mol
LogP1.95
Rot. Bonds1

About trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine

trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine (PubChem CID 94419555) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine
PubChem CID94419555
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Nametrans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine
SMILESC[C@]1(c2c(F)cccc2F)C[C@H]1N
InChIInChI=1S/C10H11F2N/c1-10(5-8(10)13)9-6(11)3-2-4-7(9)12/h2-4,8H,5,13H2,1H3/t8-,10+/m1/s1
InChIKeyVZZPQSFMQREMFF-SCZZXKLOSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 62387493
(1R)-2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 105432735
cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine
CID 94419746
N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 113389331
cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 94419814
3-(2,3-difluorophenyl)-3-methylcyclopentan-1-amine
CID 116538869
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018125
1-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropan-1-ol
CID 79333022
N-(2-tert-butylsulfonylethyl)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine
CID 167843618
cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine
CID 94419650
N-[[2-(2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 62712798

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine (CID 94419555) is trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine is C[C@]1(c2c(F)cccc2F)C[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine?
The InChIKey is VZZPQSFMQREMFF-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H11F2N/c1-10(5-8(10)13)9-6(11)3-2-4-7(9)12/h2-4,8H,5,13H2,1H3/t8-,10+/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine?
trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine has a molecular weight of 183.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine is sourced from PubChem (CID 94419555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).