N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine

C10H12ClF2N — CID 81378188

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine
SMILESC[C@@H](NCC(F)F)c1ccccc1Cl
InChIInChI=1S/C10H12ClF2N/c1-7(14-6-10(12)13)8-4-2-3-5-9(8)11/h2-5,7,10,14H,6H2,1H3/t7-/m1/s1
InChIKeyBUJXTXQEIYIORD-SSDOTTSWSA-N
MW219.66 g/mol
LogP3.26
Rot. Bonds4

About N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine

N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine (PubChem CID 81378188) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine
PubChem CID81378188
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine
SMILESC[C@@H](NCC(F)F)c1ccccc1Cl
InChIInChI=1S/C10H12ClF2N/c1-7(14-6-10(12)13)8-4-2-3-5-9(8)11/h2-5,7,10,14H,6H2,1H3/t7-/m1/s1
InChIKeyBUJXTXQEIYIORD-SSDOTTSWSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107875843
1-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-2-ol
CID 111755606
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,2-diethoxyethanamine
CID 81378877
N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine
CID 115623733
1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine
CID 115406269
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81377388
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166997
N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81379336
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433
N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43100745

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine (CID 81378188) is N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine is C[C@@H](NCC(F)F)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine?
The InChIKey is BUJXTXQEIYIORD-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12ClF2N/c1-7(14-6-10(12)13)8-4-2-3-5-9(8)11/h2-5,7,10,14H,6H2,1H3/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine?
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine has a molecular weight of 219.66 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine is sourced from PubChem (CID 81378188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).