3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol

C14H18ClF2NO — CID 106172852

IUPAC3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCC(F)(F)CO
InChIInChI=1S/C14H18ClF2NO/c1-13(2)6-9-3-4-10(15)5-11(9)12(13)18-7-14(16,17)8-19/h3-5,12,18-19H,6-8H2,1-2H3
InChIKeyIMCSGGFPRLMBMT-UHFFFAOYSA-N
MW289.75 g/mol
LogP3.18
Rot. Bonds4

About 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol

3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106172852) has the molecular formula C14H18ClF2NO and a molecular weight of 289.75 g/mol. Its IUPAC name is 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106172852
Molecular FormulaC14H18ClF2NO
Molecular Weight289.75 g/mol
Exact Mass289.10
IUPAC Name3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCC(F)(F)CO
InChIInChI=1S/C14H18ClF2NO/c1-13(2)6-9-3-4-10(15)5-11(9)12(13)18-7-14(16,17)8-19/h3-5,12,18-19H,6-8H2,1-2H3
InChIKeyIMCSGGFPRLMBMT-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol (CID 106172852) is 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol is CC1(C)Cc2ccc(Cl)cc2C1NCC(F)(F)CO.
What is the InChIKey of 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is IMCSGGFPRLMBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO/c1-13(2)6-9-3-4-10(15)5-11(9)12(13)18-7-14(16,17)8-19/h3-5,12,18-19H,6-8H2,1-2H3.
What are the key properties of 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol?
3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 289.75 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106172852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).