1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol

C18H29F3O — CID 118231680

IUPAC1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol
SMILESCC1C2CCCCC2C(C(C)(O)C(F)(F)F)C2CCCCC12
InChIInChI=1S/C18H29F3O/c1-11-12-7-3-5-9-14(12)16(17(2,22)18(19,20)21)15-10-6-4-8-13(11)15/h11-16,22H,3-10H2,1-2H3
InChIKeyACVYEWBCSRCNRT-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.18
Rot. Bonds1

About 1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol

1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol (PubChem CID 118231680) has the molecular formula C18H29F3O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol
PubChem CID118231680
Molecular FormulaC18H29F3O
Molecular Weight318.42 g/mol
Exact Mass318.22
IUPAC Name1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol
SMILESCC1C2CCCCC2C(C(C)(O)C(F)(F)F)C2CCCCC12
InChIInChI=1S/C18H29F3O/c1-11-12-7-3-5-9-14(12)16(17(2,22)18(19,20)21)15-10-6-4-8-13(11)15/h11-16,22H,3-10H2,1-2H3
InChIKeyACVYEWBCSRCNRT-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol (CID 118231680) is 1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol is CC1C2CCCCC2C(C(C)(O)C(F)(F)F)C2CCCCC12.
What is the InChIKey of 1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol?
The InChIKey is ACVYEWBCSRCNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F3O/c1-11-12-7-3-5-9-14(12)16(17(2,22)18(19,20)21)15-10-6-4-8-13(11)15/h11-16,22H,3-10H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol?
1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol has a molecular weight of 318.42 g/mol, XLogP of 5.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol is sourced from PubChem (CID 118231680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).