(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride

C9H10Cl2F3NO — CID 171234964

IUPAC(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C9H9ClF3NO.ClH/c10-7-2-5(8(14)4-15)1-6(3-7)9(11,12)13;/h1-3,8,15H,4,14H2;1H/t8-;/m0./s1
InChIKeyDUUDNDDTCGGUNF-QRPNPIFTSA-N
MW276.09 g/mol
LogP2.77
Rot. Bonds2

About (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride

(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride (PubChem CID 171234964) has the molecular formula C9H10Cl2F3NO and a molecular weight of 276.09 g/mol. Its IUPAC name is (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
PubChem CID171234964
Molecular FormulaC9H10Cl2F3NO
Molecular Weight276.09 g/mol
Exact Mass275.01
IUPAC Name(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C9H9ClF3NO.ClH/c10-7-2-5(8(14)4-15)1-6(3-7)9(11,12)13;/h1-3,8,15H,4,14H2;1H/t8-;/m0./s1
InChIKeyDUUDNDDTCGGUNF-QRPNPIFTSA-N
XLogP2.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514953
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954
(3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171251476
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171215302
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171244734
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171234941
(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
CID 124514915
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171234961
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171234933
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 170896665
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride
CID 171215301

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride (CID 171234964) is (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride is Cl.N[C@@H](CO)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The InChIKey is DUUDNDDTCGGUNF-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H9ClF3NO.ClH/c10-7-2-5(8(14)4-15)1-6(3-7)9(11,12)13;/h1-3,8,15H,4,14H2;1H/t8-;/m0./s1.
What are the key properties of (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride?
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride has a molecular weight of 276.09 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 171234964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).