cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine

C10H11F2NO — CID 51888254

IUPACcis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine
SMILESN[C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H11F2NO/c11-10(12)14-7-3-1-6(2-4-7)8-5-9(8)13/h1-4,8-10H,5,13H2/t8-,9-/m1/s1
InChIKeySMNZDNYMLPJBCK-RKDXNWHRSA-N
MW199.20 g/mol
LogP2.10
Rot. Bonds3

About cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine

cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine (PubChem CID 51888254) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine
PubChem CID51888254
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Namecis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine
SMILESN[C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H11F2NO/c11-10(12)14-7-3-1-6(2-4-7)8-5-9(8)13/h1-4,8-10H,5,13H2/t8-,9-/m1/s1
InChIKeySMNZDNYMLPJBCK-RKDXNWHRSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888219
2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 22619922
3-[4-(difluoromethoxy)phenyl]cyclobutane-1-carboxylic acid
CID 62055663
4-(difluoromethoxy)aniline
CID 737363
(3S,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761188
2-(4-butoxyphenyl)cyclopropan-1-amine
CID 59628060
trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
CID 39236206
4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile
CID 70814754
2-[4-(4-isocyanophenoxy)phenyl]cyclopropan-1-amine
CID 59628025
trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine
CID 94605675
3-[4-(difluoromethoxy)phenyl]piperidine
CID 117326655
2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine
CID 162602443

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine?
The IUPAC name of cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine (CID 51888254) is cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine is N[C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1.
What is the InChIKey of cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine?
The InChIKey is SMNZDNYMLPJBCK-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-10(12)14-7-3-1-6(2-4-7)8-5-9(8)13/h1-4,8-10H,5,13H2/t8-,9-/m1/s1.
What are the key properties of cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine?
cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine has a molecular weight of 199.20 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 51888254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).