N-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine

C10H17F2NO — CID 129107917

IUPACN-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine
SMILESC#C[C@@H](C)N(C)CC(C)COC(F)F
InChIInChI=1S/C10H17F2NO/c1-5-9(3)13(4)6-8(2)7-14-10(11)12/h1,8-10H,6-7H2,2-4H3/t8?,9-/m1/s1
InChIKeyRFBXPJPNZTXSPK-YGPZHTELSA-N
MW205.25 g/mol
LogP1.82
Rot. Bonds6

About N-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine

N-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine (PubChem CID 129107917) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is N-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine
PubChem CID129107917
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine
SMILESC#C[C@@H](C)N(C)CC(C)COC(F)F
InChIInChI=1S/C10H17F2NO/c1-5-9(3)13(4)6-8(2)7-14-10(11)12/h1,8-10H,6-7H2,2-4H3/t8?,9-/m1/s1
InChIKeyRFBXPJPNZTXSPK-YGPZHTELSA-N
XLogP1.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine (CID 129107917) is N-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine is C#C[C@@H](C)N(C)CC(C)COC(F)F.
What is the InChIKey of N-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine?
The InChIKey is RFBXPJPNZTXSPK-YGPZHTELSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-5-9(3)13(4)6-8(2)7-14-10(11)12/h1,8-10H,6-7H2,2-4H3/t8?,9-/m1/s1.
What are the key properties of N-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine?
N-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine has a molecular weight of 205.25 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 129107917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).