1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol

C11H22F3NO — CID 63901069

IUPAC1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol
SMILESCC(C)CCCC(C)NCC(O)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-8(2)5-4-6-9(3)15-7-10(16)11(12,13)14/h8-10,15-16H,4-7H2,1-3H3
InChIKeyNBVBIDRGFNRXSX-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.71
Rot. Bonds7

About 1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol

1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol (PubChem CID 63901069) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol
PubChem CID63901069
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol
SMILESCC(C)CCCC(C)NCC(O)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-8(2)5-4-6-9(3)15-7-10(16)11(12,13)14/h8-10,15-16H,4-7H2,1-3H3
InChIKeyNBVBIDRGFNRXSX-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol (CID 63901069) is 1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol is CC(C)CCCC(C)NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol?
The InChIKey is NBVBIDRGFNRXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-8(2)5-4-6-9(3)15-7-10(16)11(12,13)14/h8-10,15-16H,4-7H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol has a molecular weight of 241.30 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(6-methylheptan-2-ylamino)propan-2-ol is sourced from PubChem (CID 63901069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).