2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol

C14H16F2N2O — CID 166885763

IUPAC2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol
SMILESC/C(Cc1c[nH]c2ccccc12)=N\CC(F)(F)CO
InChIInChI=1S/C14H16F2N2O/c1-10(18-8-14(15,16)9-19)6-11-7-17-13-5-3-2-4-12(11)13/h2-5,7,17,19H,6,8-9H2,1H3/b18-10+
InChIKeyQXTFCLDZXCMTAY-VCHYOVAHSA-N
MW266.29 g/mol
LogP2.80
Rot. Bonds5

About 2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol

2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol (PubChem CID 166885763) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol
PubChem CID166885763
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol
SMILESC/C(Cc1c[nH]c2ccccc12)=N\CC(F)(F)CO
InChIInChI=1S/C14H16F2N2O/c1-10(18-8-14(15,16)9-19)6-11-7-17-13-5-3-2-4-12(11)13/h2-5,7,17,19H,6,8-9H2,1H3/b18-10+
InChIKeyQXTFCLDZXCMTAY-VCHYOVAHSA-N
XLogP2.80
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium
CID 164561468
2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
CID 121410502
3-hydroxyimino-4-(1H-indol-3-yl)butan-2-one
CID 130005249
2,2-difluoro-2-(1H-indol-3-yl)ethanol
CID 116841147
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
CID 113086281
chloro 2-(1H-indol-3-yl)acetate
CID 174694401
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
CID 143255366
3-ethyl-1H-indole;methanamine
CID 142222050
3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole
CID 175085048
N-(1-amino-2-methylpropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 55163528
CID 87710053
CID 87710053

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol (CID 166885763) is 2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol is C/C(Cc1c[nH]c2ccccc12)=N\CC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol?
The InChIKey is QXTFCLDZXCMTAY-VCHYOVAHSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-10(18-8-14(15,16)9-19)6-11-7-17-13-5-3-2-4-12(11)13/h2-5,7,17,19H,6,8-9H2,1H3/b18-10+.
What are the key properties of 2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol?
2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol has a molecular weight of 266.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol is sourced from PubChem (CID 166885763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).