(3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal

C10H8F4O — CID 168907438

IUPAC(3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal
SMILESO=CC[C@@H](F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F4O/c11-9(5-6-15)7-1-3-8(4-2-7)10(12,13)14/h1-4,6,9H,5H2/t9-/m1/s1
InChIKeyDPBXZTSNFRNVRO-SECBINFHSA-N
MW220.16 g/mol
LogP3.31
Rot. Bonds3

About (3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal

(3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal (PubChem CID 168907438) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is (3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal.

Molecular Properties

Compound Name(3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal
PubChem CID168907438
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name(3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal
SMILESO=CC[C@@H](F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F4O/c11-9(5-6-15)7-1-3-8(4-2-7)10(12,13)14/h1-4,6,9H,5H2/t9-/m1/s1
InChIKeyDPBXZTSNFRNVRO-SECBINFHSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-sulfanyl-2-[4-(trifluoromethyl)phenyl]acetaldehyde
CID 173373397
3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal
CID 105475142
3-[3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]propanal
CID 87670212
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
2-bromo-2-[4-(trifluoromethyl)phenyl]acetaldehyde;methoxyethane
CID 145052147
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826
3-[4-(trifluoromethyl)phenyl]pentan-2-one
CID 63196921
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79016422
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl] methanesulfonate
CID 87402636
3-oxo-3-[4-(trifluoromethyl)phenyl]propanal
CID 43114751

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal?
The IUPAC name of (3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal (CID 168907438) is (3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal.
What is the SMILES notation for (3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal?
The canonical SMILES for (3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal is O=CC[C@@H](F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal?
The InChIKey is DPBXZTSNFRNVRO-SECBINFHSA-N. The full InChI is InChI=1S/C10H8F4O/c11-9(5-6-15)7-1-3-8(4-2-7)10(12,13)14/h1-4,6,9H,5H2/t9-/m1/s1.
What are the key properties of (3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal?
(3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal has a molecular weight of 220.16 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal is sourced from PubChem (CID 168907438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).